N-but-3-en-2-yl-3-methylbutan-2-imine

C9H17N — CID 123225179

IUPACN-but-3-en-2-yl-3-methylbutan-2-imine
SMILESC=CC(C)/N=C(\C)C(C)C
InChIInChI=1S/C9H17N/c1-6-8(4)10-9(5)7(2)3/h6-8H,1H2,2-5H3/b10-9+
InChIKeyLGTMDMXYNILAMG-MDZDMXLPSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About N-but-3-en-2-yl-3-methylbutan-2-imine

N-but-3-en-2-yl-3-methylbutan-2-imine (PubChem CID 123225179) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methylbutan-2-imine
PubChem CID123225179
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-but-3-en-2-yl-3-methylbutan-2-imine
SMILESC=CC(C)/N=C(\C)C(C)C
InChIInChI=1S/C9H17N/c1-6-8(4)10-9(5)7(2)3/h6-8H,1H2,2-5H3/b10-9+
InChIKeyLGTMDMXYNILAMG-MDZDMXLPSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
CID 89227476
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
N-(3,6-dimethylhepta-3,4-dien-2-yl)propan-2-imine
CID 90994223
N-(4-methylpent-2-enyl)propan-2-imine
CID 118582185
3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine
CID 123213513
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
CID 123575717
3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine
CID 123748386
N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 123859208
3-methyl-N-(3-methylpent-2-enyl)butan-2-imine
CID 123964314
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
3-methyl-N-[(E)-2-methylpent-2-enyl]butan-2-imine
CID 129231051

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methylbutan-2-imine?
The IUPAC name of N-but-3-en-2-yl-3-methylbutan-2-imine (CID 123225179) is N-but-3-en-2-yl-3-methylbutan-2-imine.
What is the SMILES notation for N-but-3-en-2-yl-3-methylbutan-2-imine?
The canonical SMILES for N-but-3-en-2-yl-3-methylbutan-2-imine is C=CC(C)/N=C(\C)C(C)C.
What is the InChIKey of N-but-3-en-2-yl-3-methylbutan-2-imine?
The InChIKey is LGTMDMXYNILAMG-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(4)10-9(5)7(2)3/h6-8H,1H2,2-5H3/b10-9+.
What are the key properties of N-but-3-en-2-yl-3-methylbutan-2-imine?
N-but-3-en-2-yl-3-methylbutan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-methylbutan-2-imine is sourced from PubChem (CID 123225179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).